3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzamide

C26H27ClN2O2 — CID 127026143

IUPAC3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C26H27ClN2O2/c27-22-10-6-9-21(19-22)26(30)28-23-13-15-29(16-14-23)17-18-31-25-12-5-4-11-24(25)20-7-2-1-3-8-20/h1-12,19,23H,13-18H2,(H,28,30)
InChIKeyZJFPKMFIZHDLEO-UHFFFAOYSA-N
MW434.97 g/mol
LogP5.28
Rot. Bonds7

About 3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzamide

3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzamide (PubChem CID 127026143) has the molecular formula C26H27ClN2O2 and a molecular weight of 434.97 g/mol. Its IUPAC name is 3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzamide
PubChem CID127026143
Molecular FormulaC26H27ClN2O2
Molecular Weight434.97 g/mol
Exact Mass434.18
IUPAC Name3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C26H27ClN2O2/c27-22-10-6-9-21(19-22)26(30)28-23-13-15-29(16-14-23)17-18-31-25-12-5-4-11-24(25)20-7-2-1-3-8-20/h1-12,19,23H,13-18H2,(H,28,30)
InChIKeyZJFPKMFIZHDLEO-UHFFFAOYSA-N
XLogP5.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.97
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzamide (CID 127026143) is 3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzamide is O=C(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzamide?
The InChIKey is ZJFPKMFIZHDLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O2/c27-22-10-6-9-21(19-22)26(30)28-23-13-15-29(16-14-23)17-18-31-25-12-5-4-11-24(25)20-7-2-1-3-8-20/h1-12,19,23H,13-18H2,(H,28,30).
What are the key properties of 3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzamide?
3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzamide has a molecular weight of 434.97 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 127026143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).